In the case of simple band structure, the influence of atomic character on the ionization energy, and the relation between the shallow and the deep levels were discussed.
在简单能带结构情况下，我们讨论了电离能与原子性质的关系，及由浅能级向深能级的转化。
The metal photonic band gap structure has potentialities in the areas of high-energy accelerators, microwave vacuum electron devices, and terahertz radiation sources etc.
金属光子带隙结构在高能加速器、微波真空电子器件和太赫兹波源等方面具有重要的应用前景。
The binding energy, energy band structure and optical properties of the oxygen physical adsorption on semiconducting single-wall carbon nanotube are studied by the density functional theory.
用密度泛函理论计算了氧分子物理吸附在半导体型单壁碳纳米管的束缚能，能带结构和吸收光谱。
For the on-site model, a four-subband global structure of energy spectrum is shown clearly, but no obvious hierarchical trifurcation of each sub-band is found.
对于在位模型，谱结构是清晰的四子带全局结构，但每一子带未见明显的三分支结构。
The mechanism of pyrogallic acid depressing sulphide minerals has been discussed by means of HMO calculation, interaction energy and energy band structure.
通过量子化学计算、亲固能计算以及能带结构分析等方法探讨了焦性没食子酸对硫化矿物的抑制机理。
The dispersion curves showed that plasma photonics crystal has the structure of photonic energy band and energy gap.
从得到的色散曲线看到等离子体光子晶体具有光子能带和能隙结构。
The band structure, energy gap, the density of states and the partial density of states in the case.
在此基础上计算了化合物的能带结构和电子能态密度。
Based on the models of energy band structure of the semiconductor glasses and the results of XPS, the mechanism of ion-selective response of the glass electrodes was proposed.
根据半导体玻璃的能带模型以及XPS的实验结果，提出了该硫系玻璃电极的选择性响应机理。
The ab initio method, which is theoretically accurate, is applied to calculate the energy band structure of diamond. The results obtained is in good agreement with the experimental values.
本文利用理论上严格的从头算方法计算了金刚石的能带，得到了与实验基本一致的结果。
We also calculated the model of doping cr, which can change the energy band structure of CdGeAs2, the result is valuable for decreasing optical absorption.
同时计算了铬离子掺杂模型的能带结构，推断出铬掺杂砷化锗镉晶体能改变晶体的能带结构，降低红外吸收。
They have many interesting physical properties, such as symmetric band structure, strong temperature dependences of energy gaps, absence of a heavy hole band, and low Auger recombination rates, etc.
它们具有很多独特的物理性质：对称的能带结构、强烈依赖于温度的带隙、一个重空穴带的缺失、低的俄歇复合率等。
The energy band structures of non-ideal stack structure were calculated approx.
并用近似方法计算了非理想堆积的能带结构。
The energy band structures of non-ideal stack structure were calculated approx.
并用近似方法计算了非理想堆积的能带结构。
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